414883

Hexyl isocyanate

97%

• Linear Formula: CH₃(CH₂)₅NCO
• CAS Number: 2525-62-4
• Molecular Weight: 127.18
• Beilstein: 1751836
• EC Number: 219-763-8
• MDL number: MFCD00037047
• UNSPSC Code: 12352100
• PubChem Substance ID: 24865962
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• refractive index: n20/D 1.421 (lit.)
• bp: 162-164 °C (lit.)
• density: 0.873 g/mL at 25 °C (lit.)
• SMILES string: CCCCCCN=C=O
• InChI: 1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
• InChI key: ANJPRQPHZGHVQB-UHFFFAOYSA-N

Description

General description

Hexyl isocyanate has been investigated for its antigenicity in the guinea pig animal model of hapten-specific respiratory hypersensitivity. Polymerization of n-hexyl isocyanate using rare earth tris(2,6-di-tert-butyl-4-methylphenolate) [Ln(OAr)₃] as initiator has been studied.

Application

Hexyl isocyanate may be employed for the synthesis of following:

• rigid-rod, helical isocyanate-based macromonomers
• rod-coil-rod triblock copolymers with 2-vinylpyridine, by living anionic polymerization
• chiral poly(n-hexyl isocyanate) (PHIC) macromonomers, by living anionic polymerization

Safety Information

• Pictograms: GHS02,GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H226,H302 + H312 + H332,H317,H334
• Precautionary Statements: P210 - P233 - P240 - P280 - P301 + P312 - P303 + P361 + P353
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3 - Resp. Sens. 1 - Skin Sens. 1
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 138.2 °F - closed cup
• Flash Point(C): 59 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves